7-(2-morpholin-4-ium-4-ylethyl)-8-phenyl-3-propyl-purine-2,6-dione

Systemtic Name: 7-(2-morpholin-4-ium-4-ylethyl)-8-phenyl-3-propyl-purine-2,6-dione Openeye Name: 7-(2-morpholin-4-ium-4-ylethyl)-8-phenyl-3-propyl-purine-2,6-dione CAS Name: 7-[2-(4-morpholin-4-iumyl)ethyl]-8-phenyl-3-propylpurine-2,6-dione IUPAC Name: 7-(2-morpholin-4-ium-4-ylethyl)-8-phenyl-3-propylpurine-2,6-dione Traditional Name: 7-(2-morpholin-4-ium-4-ylethyl)-8-phenyl-3-propyl-xanthine Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3)CC[NH+]4CCOCC4

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3)CC[NH+]4CCOCC4

InChI

InChI=1S/C20H25N5O3/c1-2-8-25-18-16(19(26)22-20(25)27)24(10-9-23-11-13-28-14-12-23)17(21-18)15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3,(H,22,26,27)/p+1